3-pentyl-13H-indeno[2,1-a]anthracene

C26H24 — CID 161429921

IUPAC3-pentyl-13H-indeno[2,1-a]anthracene
SMILESCCCCCc1ccc2c(c1)-c1ccc3cc4ccccc4cc3c1C2
InChIInChI=1S/C26H24/c1-2-3-4-7-18-10-11-22-17-26-23(24(22)14-18)13-12-21-15-19-8-5-6-9-20(19)16-25(21)26/h5-6,8-16H,2-4,7,17H2,1H3
InChIKeyVMHLICJXIBFPSL-UHFFFAOYSA-N
MW336.48 g/mol
LogP7.30
Rot. Bonds4

About 3-pentyl-13H-indeno[2,1-a]anthracene

3-pentyl-13H-indeno[2,1-a]anthracene (PubChem CID 161429921) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-pentyl-13H-indeno[2,1-a]anthracene.

Molecular Properties

Compound Name3-pentyl-13H-indeno[2,1-a]anthracene
PubChem CID161429921
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name3-pentyl-13H-indeno[2,1-a]anthracene
SMILESCCCCCc1ccc2c(c1)-c1ccc3cc4ccccc4cc3c1C2
InChIInChI=1S/C26H24/c1-2-3-4-7-18-10-11-22-17-26-23(24(22)14-18)13-12-21-15-19-8-5-6-9-20(19)16-25(21)26/h5-6,8-16H,2-4,7,17H2,1H3
InChIKeyVMHLICJXIBFPSL-UHFFFAOYSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 141426174
3-hexyl-9H-fluorene
CID 141425158
3-docosyl-9H-fluorene
CID 141425169
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CID 123838982
2-octylanthracene
CID 23131226
2-hexyl-9H-fluorene
CID 2801684
2-decyl-9H-fluorene
CID 21095311
7,20-dipentylhexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411397
2-(9H-fluoren-1-yl)-4-nonylphenol
CID 152722460
ethane;2-hexylnaphthalene
CID 142191207
2-butylpentacene
CID 172754039
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CID 177478805

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-13H-indeno[2,1-a]anthracene?
The IUPAC name of 3-pentyl-13H-indeno[2,1-a]anthracene (CID 161429921) is 3-pentyl-13H-indeno[2,1-a]anthracene.
What is the SMILES notation for 3-pentyl-13H-indeno[2,1-a]anthracene?
The canonical SMILES for 3-pentyl-13H-indeno[2,1-a]anthracene is CCCCCc1ccc2c(c1)-c1ccc3cc4ccccc4cc3c1C2.
What is the InChIKey of 3-pentyl-13H-indeno[2,1-a]anthracene?
The InChIKey is VMHLICJXIBFPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24/c1-2-3-4-7-18-10-11-22-17-26-23(24(22)14-18)13-12-21-15-19-8-5-6-9-20(19)16-25(21)26/h5-6,8-16H,2-4,7,17H2,1H3.
What are the key properties of 3-pentyl-13H-indeno[2,1-a]anthracene?
3-pentyl-13H-indeno[2,1-a]anthracene has a molecular weight of 336.48 g/mol, XLogP of 7.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-13H-indeno[2,1-a]anthracene is sourced from PubChem (CID 161429921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).